CID 11535318

C51H40BF4O3P2Rh- — CID 11535318

About CID 11535318

CID 11535318 (PubChem CID 11535318) has the molecular formula C51H40BF4O3P2Rh- and a molecular weight of 952.54 g/mol.

Molecular Properties

• Compound Name: CID 11535318
• PubChem CID: 11535318
• Molecular Formula: C51H40BF4O3P2Rh-
• Molecular Weight: 952.54 g/mol
• Exact Mass: 952.15
• IUPAC Name: —
• SMILES: F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh].c1ccc(-c2cc(-c3ccccc3)pc(-c3ccccc3Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)c2)cc1
• InChI: InChI=1S/C43H28O3P2.C8H12.BF4.Rh/c1-3-13-29(14-4-1)33-27-40(32-17-5-2-6-18-32)47-41(28-33)36-21-11-12-22-37(36)44-48-45-38-25-23-30-15-7-9-19-34(30)42(38)43-35-20-10-8-16-31(35)24-26-39(43)46-48;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-28H;1-2,7-8H,3-6H2;;/q;;-1
• InChIKey: TUWVATBOSXWNGB-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 35.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.54
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 11535318?

The IUPAC name of CID 11535318 (CID 11535318) is not available.

What is the SMILES notation for CID 11535318?

The canonical SMILES for CID 11535318 is F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh].c1ccc(-c2cc(-c3ccccc3)pc(-c3ccccc3Op3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)c2)cc1.

What is the InChIKey of CID 11535318?

The InChIKey is TUWVATBOSXWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O3P2.C8H12.BF4.Rh/c1-3-13-29(14-4-1)33-27-40(32-17-5-2-6-18-32)47-41(28-33)36-21-11-12-22-37(36)44-48-45-38-25-23-30-15-7-9-19-34(30)42(38)43-35-20-10-8-16-31(35)24-26-39(43)46-48;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-28H;1-2,7-8H,3-6H2;;/q;;-1;.

What are the key properties of CID 11535318?

CID 11535318 has a molecular weight of 952.54 g/mol, XLogP of 17.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 11535318 is sourced from PubChem (CID 11535318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).